Effective Laguerre asymptotics
D. Borwein,∗ Jonathan M. Borwein† and Richard E. Crandall‡ January 18, 2007
Abstract It is known that the generalized Laguerre polynomials can enjoy sub-exponential growth for large primary index. Specifically, for certain fixed parameter pairs (a, z) one has the large-n asymptotic √ (−a) −a/2−1/4 2 nz Ln (−z) ∼ C(a, z)n e .
We introduce a computationally motivated contour integral that allows highly efficient nu- merical evaluation of Ln, yet also leads to general asymptotic series over the full domain for sub-exponential behavior. We eventually lay out a fast algorithm for generation of the rather formidable expansion coefficients. Along the way we address the difficult problem of establishing effective (i.e. rigorous and explicit) error bounds on the general expan- sion. To this end, we avoid classical stationary-phase and steepest-descent techniques in favor of an “exp-arc” method that amounts to a natural bridge between converging series and effective asymptotics. Finally, we exhibit an absolutely convergent exp-arc se- ries for Bessel-function evaluation as an alternative to conventional ascending-asymptotic switching.
∗Department of Mathematics University of Western Ontario, London, ONT, N6A 5B7, Canada, [email protected]. Supported in part by NSERC. †Faculty of Computer Science, Dalhousie University, Halifax NS, B3H2W5, CANADA. Email: [email protected]. J.M. Borwein’s work is funded by NSERC and the Canada Research Chair Program ‡Center for Advanced Computation, Reed College, Portland, OR 97202 USA, Email: [email protected]
1 1 The challenge of “effectiveness”
The object of our interest will be the Laguerre polynomial we parameterize thus: n X n − azk L(−a)(−z) := . (1) n n − k k! k=0 Our use of negated parameters −a, −z is intentional, for convenience in our analysis and in connection with related research, as we later explain. We shall work on the difficult problem of establishing asymptotics with effective error bounds for the two-parameter domain
D := {(a, z) ∈ C × C : z 6∈ (−∞, 0]}.
That is, parameter a is any complex number, while z is any complex number not on the negative-closed cut (−∞, 0]. This D will turn out to be the precise domain of sub- (−a) exponential growth of Ln (−z). Herein, we say a function f(n) enjoys sub-exponential growth if log log |f(n)| ∼ δ log n, for some 0 < δ < 1, so for example f(n) = anb exp(cnδ) for real constants a, b, c with c > 0 has this growth property.1 The reason for the negative-cut exclusion on z is simple: For z negative real, the Laguerre polynomial exhibits oscillatory behavior in large n, and is not of sub-exponential growth. Note also, from the definition (1), that n − a L(−a)(0) = , (2) n n which covers the case z = 0; again, not sub-exponential growth. Now, for all (a, z) ∈ D we shall have (here and beyond we define m := n + 1, which tends to simplify notation throughout):
(−a) −1/2 Ln (−z) ∼ Sn(a, z) 1 + O(m ) , (3)
where the sub-exponential term S is √ e−z/2 e2 mz S (a, z) := √ . (4) n 2 π z1/4−a/2 m1/4+a/2 √ In such expressions, < ( mz) is taken to be pm|z| cos(θ/2) where θ := arg(z) ∈ (−π, π] (we hereby adopt the convention arg(−1) := π), and so for (a, z) ∈ D the expression (4) √ involves genuinely diverging growth in n, due to the sub-exponential exp(2 mz) factor. What we seek are effective bounds, for example to replace a logical error-bounding statement for an expression E in the following way: 1 C E = O √ is replaced by E < √ for m > m0 , m m
1We use “sub-exponential” in a sense distinct from that in number theory, in which field one typically refers to growth of order exp(d logδ n)), δ < 1.
2 with both the constant C and the threshold m0 being explicit. To do this, we even- tually introduce a “Θ”-notation to simplify the nomenclature by replacing big-O when effectiveness is achieved. Thus, our chief goal in the present paper is to establish effective bounds—starting with a suitable explicit big-O constant in (3)—for the entire domain D of (a, z) pairs, even to reach further, into arbitrary asymptotic orders. Moreover, we want to effect all of this is a systematic way, so that other researchers will have a symbolic scheme for generating effective terms. To these ends, we turn next to motivational matters, and the history of Laguerre asymptotics.
1.1 Research motives A primary research motive for providing effective asymptotics lies in a beautiful Laguerre series for the incomplete gamma function (see [1]), namely [14] 1 Γ(a, z) = zae−z 1 − a z + 1 1 + 2 − a z + 1 + ··· ∞ X (1 − a)n 1 = , (5) (n + 1)! (−a) (−a) n=0 Ln (−z) Ln+1 (−z) where (c)n := c(c + 1) ··· (c + n − 1) is the Pochhammer symbol. This series is valid whenever none of the Laguerre denominators has a zero. Thus an interesting sidelight is the research problem of establishing zero-free regions for Laguerre polynomials (see our Open Problems section). Indeed, one may see in this formula one good reason to adopt, as we have, Laguerre superscript (−a) and argument (−z). The asymptotic in (3) is indeed an ingredient to a separate theory of R. Crandall [9] on the large-height behavior of the incomplete gamma function, which theory in turn applies to high-precision Riemann-zeta computations. This Riemann-zeta/incomplete-gamma connection relies in turn on both imaginary heights |=(a)|, |=(z)| being very large. For example, to deal analytically-computationally with primes in the region of 1020, one might need a rigorous evaluation of something quite stultifying, say Γ 1 + 1010i, 1 + 2 · 1010i . In a word: To responsibly calculate results on prime numbers, using the analysis chain of Laguerre-polynomial → incomplete-gamma → Riemann-zeta, one must certainly know rigorous errors. It is this kind of generality√ of parameters that is incomplete in the literature. In this sense, a term O(1/ n + 1) as in (3) will not suffice in matters of numerical rigor unless an implied big-O constant is known. The Laguerre series for (5) suggests that the convergents of the continued fraction for the incomplete gamma function are closely related to Laguerre evaluations, and this is indeed so. In fact, another research motive we realize is that the continued-fraction
3 theory for the Γ(a, z) fractions is incomplete in the sense that the theory of S-fractions, which have been well-studied, does involve parameter restrictions. In fact, the present research began when we encountered great difficulty in estimating the convergence rate of the Γ(a, z) fraction for arbitrary a, z; this is what led to our focus on the Laguerre asymptotics. So one new research avenue is opened by this Laguerre study; namely, new results on certain continued fractions lying outside the reach of S-fractions will surely accrue. Incidentally, we are aware that sub-exponential convergence results for the general incomplete-gamma-fraction might be attainable via the very complicated, seminal work of Jacobsen and Thron [15] on oval convergence regions, but at least our effective-Laguerre approach eventually yields the desired growth properties. We should state an important caveat at this juncture: We are not intending to develop Laguerre asymptotics in order to calculate Γ(a, z) via series (5); rather, as of this writing the present effective-asymptotic analysis is the only way we know to show subexponential convergence of the Γ continued fraction for the whole domain D. If we may speak in the metamathematical vein, the intricacies of Laguerre asymptotics are not unexpected, given the corresponding intracies of complex continued fractions. There are yet other research areas that can benefit from precise Laguerre asymptotics. The celebrated hydrogen wave-functions in quantum theory involve Laguerre polynomials m Ln with n, m both positive integers [39, Ch. 4]. Beyond this, it turns out that Laguerre polynomials appear in some exactly solvable 3-body problems in quantum chemistry. In fact for the “helium-like” Hamiltonian operator for two mass-m electrons at r1, r2 and one mass-M nucleus at r3:
1 2 2 1 2 1 2 2 2 λ H = − ∇1 + ∇2 − ∇3 + mω (r13 + r23) + 2 , 2m 2M 2 r12 where rjk := rj − rk and the 2-electron repulsion is modeled here as an inverse-cube force with coupling λ, the exact wave-functions—indexed by integers n, l—are proportional to:
(a) 2 Ln 2mωr12 , with a := pl(l + 1) + 1/4 + λm. Note that for vanishing λ = 0 the Laguerre super-index a is a half-odd integer l + 1/2, but that introducing a nonzero λ breaks this symmetry so that non half-integer a become involved. In either the standard hydrogen case or the 3-body models, the asymptotic form is that of the Fej´eroscillatory variety (6); yet, analyticity studies in quantum theory can involve either space, time, or both continuations into the complex plane, in which cases rigorous asymptotics may be required. Thus there is a place for Laguerre asymptotics in quantum theory. As one last example: The so-called WKB theory for approximating the remote phase of a hydrogenic wave-function is problematic, yet the oscillatory Fej´er– Perron theory we next outline yields precise phases easily. One can imagine, then, a modern computationalist’s need for effective bounds in both the oscillatory and sub- exponential Laguerre cases.
4 Yet another application for growth theorems involves the Hermite polynomials, in turn expressible as n (−1/2) 2 H2n(x) = (−4) n! Ln x , n (+1/2) 2 H2n+1(x) = 2(−4) n! x Ln x , and appearing at many important theoretical junctures in quantum theory. As with the aforementioned atomic wavefunctions, it is important to know the asymptotic behavior of the Hermite class. For one thing, space-time and space-energy propagators for the Schr¨odinger theory sometimes demand asymptotic analysis in regard to eigenvalue esti- mates. In any case, our present results do apply to the Hermite class, via the above √ √ √ even-odd identities (one simply asigns x := −z with our branch rule −ρ := i ρ for positive real ρ). One interesting work—whose methods are distinct from our present ones—involves explicit bounds on Hermite oscillations [12]. And, for asymptotic analysis, there may be some hope in the interesting L´opez–Temme expansion:
n a−z−1 X ckHn−k L(−a)(−z) = (−x)n 2x , n xk(n − k)! k=0 p where x := −z − (1 − a)/2 and the ck are generated by a certain 4-th order recurrence relation [18]. Strikingly nonstandard as this representation may be, it is neverthless valid for all parameter pairs (a, z) ∈ C × C.
1.2 Historical results Laguerre asymptotics have long been established for certain restricted domains, and usu- ally with noneffective asymptotics.2 For example, in 1909 Fej´erestablished that for z on the open cut (−∞, 0) and any real a, one has [30, Theorem 8.22.1]:
e−z/2 √ L(−a)(−z) = √ cos 2 −mz + aπ/2 − π/4 + O m−a/2−3/4 , (6) n π(−z)1/4−a/2 m1/4+a/2 where we again use index m := n+1, which slightly alters the coefficients in such classical expansions, said coefficients being for powers n−k/2 but we are now using powers m−k/2. By 1921 Perron [28] had generalized the Fej´erseries to arbitrary orders, then for z 6∈ (−∞, 0] established a series consistent with (3) and (4), in essentially the form: [30, Theorem 8.22.3]
N−1 ! X Ck L(−a)(−z) = S (a, z) + O m−N/2 , (7) n n mk/2 k=0 although this was for real a and so not for our general parameter domain D. Note that C0 = 1, consistent with our (3) and (4); however, one should take care that because we
2Some researchers use the term “realistic error bound” for big-O terms that have explicit structure. We prefer “effective bound,” and when an expansion is bestowed with such a bound, we may say “effective expansion.”
5 are using index m := n + 1, the coefficients Ck in the above formula differ slightly from the historical ones. Various of the Perron generalizations can be derived, for example, from the Le Roy formula, valid for <(a) > 1 and z negative real, Z ∞ (−a) a/2 −z 1 n−a/2 −t √ Ln (−z) = (−z) e t e J−a(2 −zt) dt, n! 0 which formula is more than a century old (see [30, ch. 5.4, p. 99], where extension to more general parameters is discussed). That is, one may use the classical Bessel-expansion theory to obtain a Laguerre expansion. The complications attendant on this approach are a good reason to adopt, as we shall, a more universal contour integral representation. It is not hard to see how the interplay between domain of z and the asymptotic character of (6) or (7) works. If we naively take 0 6= z 6∈ (−∞, 0) in the Fej´er form (6), the cosine term has a sub-exponentially growing part (1/2) exp(2pm|z| cos(θ/2))—so even the extra factor of 1/2 contained in the Sn definition is explained in this way. Conversely, one can imagine moving from the sub-exponential form (7) to the oscillatory form (6) as z moves onto the cut (−∞, 0) from outside it, provided one remembers the mnemonic that √ there is in (3) or (7) a “buried” term like Sn but having exp(−2 mz) in the numerator, such a term being sub-exponentially small. All of these heuristics and mnemonics can be √ remembered perhaps best by imagining a cosh(2 mz) term in the definition of Sn, with the denominator’s ‘2’ removed. It will turn out that our rather involved effective-error √ analysis moves most cleanly, though, with (a, z) ∈ D and the exp(2 mz) term intact. Certain asymptotic properties may be gleaned from the formal generating function
∞ zt X (−a) n a−1 1−t u(t) := Ln (−z)t = (1 − t) e , (8) n=0 as can be derived from standard ordinary differential equation theory by applying the P n recurrence (10) in the next section to the generating function n rnt . A more modern literature treatment that is again consistent with the heuristic (3)–(4), is given by Wipitski (−a) in [37], where (8) is invoked to yield a contour integral for Ln (−z). Then a stationary- phase approach yields precisely the correct asymptotic, at least for certain subregions of D. It should be noted however that Wipitski’s treatment is both elegant and non-rigorous, intended mostly as a computational guide. And once again, there is no estimate given on √ the O(1/ m) correction in (3). In fact, our present approach involves the avoidance of stationary-phase approach per se, in favor of an exponential-arcsin series development, as described in Section 5. There is an interesting anecdote that reveals the difficulty inherent in Laguerre asymp- totics. Namely, W. Van Assche in an interesting 1985 paper [34] used the expansion (7) for work on zero-distributions, only to find by 2001 that the C1 term in that 1985 paper had been calculated incorrectly. The amended series is given in his correction note [35] as √ e−z/2 e2 nz 3 − 12a2 + 24(1 − a)z + 4z2 1 1 L(−a)(−z) ∼ √ . 1 + √ √ + O , n 2 π z1/4−a/2 n1/4+a/2 48 z n n
6 or in our own notation with m := n + 1,
3 − 12a2 − 24(1 + a)z + 4z2 1 1 ∼ S (a, z) 1 + √ √ + O . (9) n 48 z m m √ Note the slight alteration used to obtain our C / m term. Van Assche credits T. M¨uller 1 √ and F. Olver for aid in working out the correct O(1/ n) component.3 This story suggests that even a low-order asymptotic development is nontrivial. Hence, we should anticipate the effective error-bounding project on which we embark to be at least as nontrivial. At any rate, along the way we shall streamline a symbolic-generation process for obtaining the Ck, and in this way shall give an algorithm for extending (9) to higher orders and provide effective bounds for the corresponding error terms Ek. Absent the problem of incomplete domains (incomplete for our modern purposes), the classical authors certainly knew in principle how to establish effective error bounds. The excellent treatment of effectiveness for Laplace’s method of steepest descent in [22] is a shining example. Even more illuminating is Olver’s paper [21], which explains effective bounding and shows how unwieldy rigorous bounds can be. However, efficient algorithms for generating explicit effective big-O constants have only become practicable in recent times. We freely admit that here-and-now in the era of modern symbolic processing—and in spite of the complications into which we soon shall delve—the generation of explicit asymptotic terms and their associated errors is easier today than at any time in the history of the subject. We note that many alternative Laguerre studies abound. One modern thrust—which we do not address in the present paper—involves asymptotic behavior when the subindex n is linked either to a or z, or both. For example, the paper [17] provides a large-n asymptotic (a) (nx) expansion for Ln (nx). Another treatment is [29], in which the author handles Ln (ny). (an) In [8] the authors analyze cases of Ln for which an >> n. One hopes that our present methods for effective bounding can be applied to such variants. Other important “linked” cases include the exponential monomial and the partial-exponential sum, respectively:
n (−1)n X zk L(−n)(z) = zn; L(−n−1)(z) = (−1)n . n n! n k! k=0 The paper [16] discusses such generalizations. An important point here is that any asymp- totic theory with n ≈ a would have to take into account these useful special cases. On (µ) the subject of rigorous bounds, there is the interesting treatment [19] in which Lν (x) is given upper (and lower!) bounds, for real x and <(µ) > −1. One might call such results effective error bounds of zero-th order; in any case, they do not help the present treatment directly because of their parameter-domain restrictions.
3 Accordingly, we hereby name the polynomial C1(a, z) the Perron–van Assche–M¨uller–Olver, or “PAMO” coefficient.
7 1.3 Further relations for Laguerre polynomials Here we give further relations for Laguerre polynomials, including some relations we do not use in the present treatment, but which may nevertheless be helpful in future research on the problem of effective bounds. (−a) (−a) We record what might be called initial values: L0 (−z) = 1, and L−1 (−z) := 0. We then note that the iteration (n ≥ 1) A B r = 2 − r − 1 − r , (10) n n n−1 n n−2 with initial values r−1 = 0, r0 := 1, thus has an exact solution in the form
(−a) rn = Ln (−z), (11) where z := B − A, a := B − 1, is the parameter transformation that moves us between equivalent pairs (a, z) and (A, B). Thus, the complex domain in question for (A, B) pairs can be inferred from our caveat (a, z) ∈ D. The reason we have emphasized here the rn-iteration (10) itself is that direct analysis of second-order recurrences have, on other problems, yielded strong results [5, 6, 7]. A “discrete” approach that attempts alternative asymptotic expressions for the rn is there- fore promising. Perhaps just as promising for growth analysis is the Laguerre differential equation, which in our present parameterization reads ∂2L ∂L −z + (a − 1 − z) + nL = 0, (12) ∂z2 ∂z (−a) where L := Ln (−z). In fact, various sharp results on Laguerre asymptotics have emerged from differential theory—there is the classical work of Erd´elyiand Olver, plus modern work on combinations of differential, discrete, and saddle-point theory [11][13]. Next, for some hypergeometric connections, there is a hypergeometric form n − a L(−a)(−z) = F (−n, 1 − a; −z) , (13) n n 1 1 where 1F1 is also known as the Kummer (confluent) hypergeometric function. In references such as [1, §13.5.14] the Kummer function 1F1 asymptotics are consistent with aforemen- tioned Laguerre forms, but again such formulae are established for restricted subregions of D and without effective bounds. When n is small (in some sense not made rigorous here), and say |z| |a|, an approx- imation follows from the representation (8), as
n j n − a X (−n)j (−z) L(−a)(−z) = . n n (1 − a) j! j=0 j
8 Because n n (−z) n Γ(1 − a) (−z) c1(n) c2(n) = (−z) ∼ n 1 + + 2 + ... , (1 − a)n Γ(1 − a + n) (1 − a) 1 − a (1 − a)
1 where the cj(n) are polynomials in n with c1(n) = − 2 n(n − 1), this gives a first order approximation n − a z n L(−a)(−z) ∼ 1 + . n n 1 − a More terms in such an expansion can be obtained via simple operations.4 We have not been rigorous about these small-n approximations, though we believe further research should certainly yield effective bounds. It is a fascinating phenomenon that the character of the above small-n expansion changes dramatically for large n—the behavior switches from a kind of modified power law to sub-exponential growth.
1.4 An outline of what follows In Section 2 we obtain a tripartite contour representation for the generalized Laguerre polynomials and explore to which parts contribute predominantly. In Section 3 we provide effect bounds for each of three contour integrals we call c1, d1, e1. We summarize the status of contour integration in Section 3.5. In Section 4 we attack a dominant term c0 (of c1), and reduce the effective-bounds problem to the study of a Bessel-class integral
Z π/2 I(p, q) := e−iqωep cos ω dω. −π/2
In Section 5 we conquer the asymptotics of I by exploiting the power series in x of exp(τ arcsin(x)), calling this an “exp-arc” series. Section 6 then harvests our crop: The- orem 8 gives an effective expansion for the generalized Laguerre polynomials in the sub- exponential region. Section 6.2 then provides an algorithm for the purpose while Section 6.3 shows the method in numerical mode. In Section 7 we briefly consider the oscillatory domain before applying our results to the Bessel functions In and Jn of integral order. Finally, in Section 8 we visit or revisit some of the open problems thrown up by our study.
2 Contour representation
In this section we develop a highly efficient—both numerically and analytically—contour- (−a) integral representation for Ln (−z). First we indicate how experimental mathemat- ics was employed to work out a good contour itself, then we proceed to provide ef- fective bounds on segments of the contour, whence extracting a primary term that is sub-exponentially larger than the other terms.
4The authors are indebted to N. Temme for these small-n approximations.
9 2.1 Development of a “keyhole” contour A well known contour integral has contour, Γ, encircling s = 1 + 0i but avoiding the branch cut (−∞, 0]:
−z Z −n−1 (−a) e −1−a 1 zs Ln (−z) = s 1 − e ds. (14) 2πi Γ s This representation holds for all pairs (a, z) ∈ C × C, n a non-negative integer, and may be proven to agree with the polynomial definition (1) via simple residue arithmetic, or via a Fourier transform of the generating function (8).5 However—and this is important—we found via experimental mathematical techniques that a certain kind of contour allows very accurate, efficient, and well behaved numerical Laguerre evaluations. Take z 6= 0, m := n+1 and assume r := pm/z has |r| > 1/2. Then, use a circular contour centered at s = 1/2 with radius |r|. This contour will encompass s = 1, so the remaining requirement is to avoid the cut s ∈ (−∞, 0]. But this can be done by cutting out a “wedge” from the negative-real arc of the circle, with the wedge’s apex at 1/2 = 0i. We actually tried such schemes with high-precision integration, to settle finally on the contour of Figure 1, where the aforementioned wedge has become a “keyhole” pattern consisting of cut-run D1 and small, origin-centered circle E1 of radius 1/2.
So, adopting constraints and nomenclature:
z 6= 0, θ := arg(z), ω± := ±π + θ/2, m := n + 1, r := pm/z := pm/|z|e−iθ/2,R := |r| > 1/2, but no other constraints, we have the following representation for L:
(−a) Ln (−z) = c1 + d1 + e1, (15)
where c1, d1, e1 are the respective contributions from contour C1, cut-discontinuity D1, and contour E1 from Figure 1. Exact formulae for said contributions are
Z ω+ √ 1 −a −z/2 −iω 2 mz cos ω c1 = r e Hm(a, z, e )e dω, (16) 2π ω−
−z Z R−1/2 −m e −1−a 1 −zT d1 = sin(πa) T 1 + e dT, (17) π 1/2 T
−z Z π e −iω1+a −iω−m iω+ z eiω e1 = − 2e 1 − 2e e 2 dω, (18) 4π −π 5The contour representation (14) can easily be continued to non-integer n, with care taken on the (−n−1)-th power, but our present treatment will only use nonnegative integer n.
10 (−a) Figure 1: A numerically efficient “keyhole contour” for Laguerre evaluations Ln (−z), valid for all complex a, z with z 6= 0 and n + 1 > |z|/4. Wedges with center-1/2—as pictured at right— are experimentally accurate, leading to a “keyhole” deformation avoiding the cut s ∈ (−∞, 0]. It turns that for any pair (a, z) ∈ D, the main arc C1 gives the predominant contribution for large n, the D1,E1 components being sub-exponentially minuscule.
and when m > <(a) we may write this last contribution by shrinking down the radius-1/2 contour segment to embrace the cut (−1/2, 0], as
−z Z 1/2 −m e −1−a 1 −zT e1 = sin(πa) T 1 + e dT. (19) π 0 T
For the c1 contribution above, we have used the function H defined by v −1−a h v im H (a, z, v) := va 1 + F , (20) m 2r r with 1 + t/2 F (t) := e−t, (21) 1 − t/2
which for t small is: 1 + t3/12 + t5/80 + ··· = 1 + O(t3).
Note. The form e1 given by (18) is more general than (19) as is exemplified by the case (−7/2) a := 7/2, z := −1, m := 3 for which L2 (1) = 31/8 with the (18) form contributing correctly, while the integral (19) does not even exist. Another example is a := 5, z :=
11 −1, m := 3 for which (19) has a vanishing prefactor sin(πa), yet e1 ≈ 9.513 ... as provided by (18) is correct.
In any event, e1, like d1, is sub-exponentially small relative to c1, for large n and (a, z) ∈ D. It is to be stressed that decomposition (15) holds for all (a, z) ∈ C × C, z 6= 0, as long as m := n+1 > |z|/4. We remind ourselves of (2) for z = 0. This means that such contour calculus applies to both oscillatory (Fej´er)cases, where z is negative real, and sub-exponential (Perron) cases for the stated parameters. We shall soon be restricting (a, z) to the domain D, which restriction will induce sub-exponential growth always, as in (3), with effective bounds attainable for various contour segments.
2.2 Numerical assessment of the contour
The triumvirate c1, d1, e1 of integrals is suitable for accurate Laguerre computations, which computations do show that integrals d1, e1 tend to be sub-exponentially small relative to c1. And this, of course, is our motive for identifying the contour terms in such a way. An example computation would be, from the defining series (1) with (a, z) := (−i, −1 − i): 137 53 L(i)(1 + i) = − + i 8 288 45 which to 20-place accuracy is
≈ −0.47569444444444444444 + 1.17777777777777777777i,
whereas the respective contributions from the C1,D1,E1 segments of the keyhole contour of Figure 1 turn out to be
c1 ≈ −0.44406762576110996056 + 0.81722282272705891241i,
d1 ≈ −0.03169598827425878852 + 0.36065591639721657587i,
e1 ≈ 0.00006916959092430464 − 0.00010096134649771051i, (i) with the sum c1 + d1 + e1 giving L8 (1 + i) to the implied precision. Remarkably, this “keyhole-contour” approach has the additional, unexpected feature (a) that for some parameter regions the contour evaluation of Ln (−z) is actually faster then direct summation of the defining series (1). A typical example is: For the 13-digit evaluation
(25i/2) 1056 L50000 (−30 + 3i) ≈ (0.9275136583293 + 1.7406691595239i) × 10
the defining series (1) was, in our trials, three-times slower than the integral c1 (the other two contour segments are well below the 13-digit significance).6
6Of course, series acceleration as in [3] would give the direct series a “leg up.” Still, it is remarkable that con- tour integration would even be competitive. For the record, we compared Mathematica’s numerical integration to its own LaguerreL[ ] function.
12 3 Effective bounds on the contour components 3.1 Theta-calculus We now introduce a notation useful in effective-error analysis. When two functions enjoy
|f(z)| ≤ |g(z)| over some domain z ∈ X , we shall say that
f(z) = Θ(g(z)) on said domain. Thus, the Θ-notation is an effective replacement for big-O notation. For example, for z on the complex unit circle, we have z = Θ(2), z + 1/2 even though this fails for some z off the circle. This “theta-algebra” obeys certain relations, such as this for any finite function evaluations fk:
|f1 + f2 + ... | ≤ Θ(f1) + Θ(f2) + ..., from the classical triangle inequality. (Note however that one may not always write the right-hand side as Θ(f1 + f2 + ... ) because of possible cancelation.) Also easy is the multiplicative relation for arbitrary complex multipliers α:
αΘ(f(z)) = Θ(αf(z)).
When an expression g is unwieldy, we allow ourselves the luxury of denoting Θ(g) by Θ: g, so that a long formula g can run arbitrarily to the right of the colon.
3.2 Effective bound for e1
First we address the integral e1 as given in relation (18). We need some preliminary lemmas, starting with a collection of polynomial estimates to transcendental functions.
Lemma 1 The following inequalities hold: 1. On ω ∈ [−π, π] we have log 9 log(5 − 4 cos ω) ≥ ω2. π2 2. On ω ∈ [0, 1/2] we have 4 log(1 + ω) ≥ ω. 5 √ 3. On ω ∈ [0, 1/ 2] we have π arcsin ω ≤ √ ω. 8
13 4. On ω ∈ [−π/2, π/2] we have 4 cos ω ≤ 1 − ω2. π2
Proof. All four are straight-forward calculus exercises. We illustrate with a proof the first which is slightly more subtle. Observe that 1. is equivalent to log 9 log(1 + 8 sin2(x/2)) ≥ x2. π2 Since sin(t) ≥ 2t/π when 0 ≤ t ≤ π/2, we have
log(1 + 8 sin2(x/2)) ≥ log(1 + 8x2/π2).
Putting u := 2x2/π2, we see that it suffices to prove
log(1 + 4u) ≥ u log 3 for 0 ≤ u ≤ 2, which follows by simple calculus. QED
Lemma 2 Consider integrals of error-function class, specifically, for nonnegative real parameter µ, Z ∞ 2µ 2αx−βx2 Vµ(α, β, γ) := x e dx, γ where each of α, β, γ is real, with α, β > 0. Then we always have the bound
rπ α2 V (α, β, γ) = Θ : e β . 0 β
If in addition γ > 2α/β, we also have
1 Γ(µ + 1/2) V (α, β, γ) = Θ : ; µ 2 (β − 2α/γ)µ+1/2
finally, if γ > 4α/β we have
Γ(µ + 1/2) V (α, β, γ) = Θ : 2µ−1/2 , µ βµ+1/2
Remark: The last two bounds we shall not use until a later section, but it is convenient to dispense with all these error-function results now. Proof. Completing the exponent’s square gives the first bound easily, since Z ∞ α2/β −β(x−α/β)2 V0 = e e dx γ
14 with the integral here being Θ pπ/β . For the second bound, it is elementary that for x ≥ γ one has 2αx − βx2 ≤ x2(2α/γ − β), so that Z ∞ 2µ −(β−2α/γ)x2 Vµ ≤ x e dx 0 and the resulting bound follows. The final bound follows immediately from the previous bound, because γ > 4α/β implies β − 2α/γ > β/2. QED
Theorem 1 The contour contribution e1 defined by (18), under conditions (a, z) ∈ D and m sufficiently large in the explicit sense
m := n + 1 > m0 := |z|/4,